1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine

C16H25BrN2O — CID 64846879

IUPAC1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(CCOc2cccc(Br)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25BrN2O/c1-12(2)16-10-18-13(3)11-19(16)7-8-20-15-6-4-5-14(17)9-15/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3
InChIKeyOIQOZMSRIMNPSF-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine

1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64846879) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64846879
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(CCOc2cccc(Br)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25BrN2O/c1-12(2)16-10-18-13(3)11-19(16)7-8-20-15-6-4-5-14(17)9-15/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3
InChIKeyOIQOZMSRIMNPSF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
CID 84712644
5-[2-(3-bromophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208929
1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
CID 64832830
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
CID 64837750

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine (CID 64846879) is 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine is CC1CN(CCOc2cccc(Br)c2)C(C(C)C)CN1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is OIQOZMSRIMNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)16-10-18-13(3)11-19(16)7-8-20-15-6-4-5-14(17)9-15/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine?
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64846879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).